CID 57375613

N-[(9h-fluoren-9-ylmethoxy)carbonyl]-2-methoxy-l-phenylalanine

Structural Information

Molecular Formula
C25H23NO5
SMILES
COC1=CC=CC=C1C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H23NO5/c1-30-23-13-7-2-8-16(23)14-22(24(27)28)26-25(29)31-15-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h2-13,21-22H,14-15H2,1H3,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKey
CBCSNZJHURMDMO-QFIPXVFZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

417.15762 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.16490 199.2
[M+Na]+ 440.14684 203.4
[M-H]- 416.15034 205.8
[M+NH4]+ 435.19144 211.3
[M+K]+ 456.12078 199.4
[M+H-H2O]+ 400.15488 190.6
[M+HCOO]- 462.15582 217.5
[M+CH3COO]- 476.17147 226.5
[M+Na-2H]- 438.13229 199.7
[M]+ 417.15707 202.4
[M]- 417.15817 202.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe